[(1R)-1-cyanoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [(1R)-1-cyanoethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-16(15-21)27-20(24)17-6-5-9-19(14-17)28(25,26)23-12-10-22(11-13-23)18-7-3-2-4-8-18/h2-9,14,16H,10-13H2,1H3/t16-/m1/s1